4ZEQ

Crystal Structure of human BFL-1 in complex with tBid BH3 peptide, Northeast Structural Genomics Consortium Target HX9247

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-05-28
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54178
Spacegroup name	P 1 21 1
Unit cell lengths	43.339, 43.469, 46.263
Unit cell angles	90.00, 114.21, 90.00

Refinement procedure

Resolution	42.190 - 1.800
R-factor	0.19819
Rwork	0.196
R-free	0.23872
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mqp
RMSD bond length	0.005
RMSD bond angle	0.919
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.190	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.048	0.486
Number of reflections	14163
<I/σ(I)>	14.6	2.9
Completeness [%]	96.3	94.4
Redundancy	5.57	5.61

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	295	Sodium Malonate