1MYZ

CO COMPLEX OF MYOGLOBIN MB-YQR AT RT SOLVED FROM LAUE DATA.

Experimental procedure

Experimental method	LAUE
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID09
Synchrotron site	ESRF
Beamline	ID09
Temperature [K]	283
Detector technology	CCD
Collection date	2001-12-18
Detector	MAR CCD 130 mm
Spacegroup name	P 6
Unit cell lengths	91.200, 91.200, 45.712
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.880 - 1.600
R-factor	0.167
Rwork	0.166
R-free	0.18400
Structure solution method	Rigid Body from starting model
Starting model (for MR)	1DXC (MbCO-YQR at 100K)
RMSD bond length	0.004
RMSD bond angle	1.030 *
Data reduction software	PROW (+ CCP4)
Data scaling software	PROW
Phasing software	CNS (1.0)
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.880	1.620
High resolution limit [Å]	1.550	1.550
Rmerge	0.064 *	0.414 *
Total number of observations	832442 *
Number of reflections	31195
<I/σ(I)>	37.1	4.5
Completeness [%]	96.0	75.9
Redundancy	26.7	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	9 *	294	Phillips, G.N., (1990) Proteins Struct. Funct. Genet., 7, 358. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	70 (mg/ml)
2	1	1	ammonium sulfate	2.2-2.6 (M)
3	1	1	Tris-HCl	20 (mM)