3GAC

Structure of mif with HPP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BSRF BEAMLINE 3W1A
Synchrotron site	BSRF
Beamline	3W1A
Temperature [K]	100
Detector technology	CCD
Collection date	2008-02-15
Detector	MAR CCD 165 mm
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	95.500, 99.530, 106.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.750 - 2.100
R-factor	0.1588
Rwork	0.158
R-free	0.19108
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gad
RMSD bond length	0.009
RMSD bond angle	0.956
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	72.740		2.200
High resolution limit [Å]	2.100	10.000	2.100
Rmerge	0.064	0.028	0.235
Number of reflections	59842	638	7587
<I/σ(I)>		48.8	7.9
Completeness [%]	99.8	99.1	98.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	hanging drop	4.6	289	2.5M Ammonium sulfate, 0.1M Sodium acetate trihydrate pH4.6, hanging drop, temperature 289K