3RGP

Structural and Kinetic Analysis of the Beef liver Catalase complexed with Nitric Oxide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-17
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	86.110, 139.940, 228.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.300 - 1.880
R-factor	0.18
Rwork	0.180
R-free	0.21400
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	code 4BLC
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.301	1.920
High resolution limit [Å]	1.880	1.880
Rmerge	0.091	0.329
Number of reflections	205959
<I/σ(I)>	11.5	2.1
Completeness [%]	100.0	89.9
Redundancy	5.1	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.7	298	1. 45-60mM Mg Formate mixed with 12-13 mg/ml protein containing 1-5 wt% of NH4OH. 2. Crystals then soaked overnight in 80 mM Mg-Formate solution, pH 6.7, 3. Finally soaked in 80 mM Mg formate and 150 mM bis-tris & 10-100mM DEANO, pH 6.5 , VAPOR DIFFUSION, HANGING DROP, temperature 298K