6BTN

BMP1 complexed with a reverse hydroxymate - compound 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	93
Detector technology	CCD
Collection date	2013-07-13
Detector	RIGAKU SATURN A200
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	43.690, 90.239, 124.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.080 - 2.050
R-factor	0.1952
Rwork	0.194
R-free	0.22640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.341
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	10.000	2.120
High resolution limit [Å]	2.050	4.420	2.050
Rmerge	0.124	0.067	0.577
Total number of observations	222049
Number of reflections	31742	3383	3092
<I/σ(I)>	6.6
Completeness [%]	99.9	99.4	99.9
Redundancy	7	6.7	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	8-12% PEG 3350 150-200mM KSCN 10mM spermidine