2BMH

MODELING PROTEIN-SUBSTRATE INTERACTIONS IN THE HEME DOMAIN OF CYTOCHROME P450BM-3

Experimental procedure

Spacegroup name	P 1 21 1
Unit cell lengths	59.530, 154.030, 62.430
Unit cell angles	90.00, 94.97, 90.00

Refinement procedure

Resolution	10.000 - 2.000
R-factor	0.184
Rwork	0.184
RMSD bond length	0.008
RMSD bond angle	1.540
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.000 *
High resolution limit [Å]	2.000 *	2.000 *
Rmerge	0.079 *
Total number of observations	277100 *
Number of reflections	57597 *
Completeness [%]		25 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	40-50 (mg/ml)
2	1	reservoir	PEG8000	18 (%)
3	1	reservoir		50 (mM)
4	1	reservoir	PIPES	0.1 (M)